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Substance Name: Thiochroman-4-one
RN: 3528-17-4
InChIKey: CVQSWZMJOGOPAV-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-O-S

Molecular Weight

  • 164.227
 
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Names and Synonyms

Synonyms

  • EINECS 222-548-1
  • NSC 113603
  • NSC 153096
  • NSC 64353
  • Thiochroman-4-one

Systematic Names

  • 4H-1-Benzothiopyran-4-one, 2,3-dihydro- (9CI)
  • Thiochroman-4-one

Registry Numbers

CAS Registry Number

  • 3528-17-4

System Generated Number

  • 0003528174

Structure Descriptors

InChI

1S/C9H8OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2

InChIKey

CVQSWZMJOGOPAV-UHFFFAOYSA-N

Smiles

c12c(C(CCS1)=O)cccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 29 deg C   EXP
log P (octanol-water) 2.160 (none)   EST
Atmospheric OH Rate Constant 4.07E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.